Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 115-79-7 | |
|---|---|---|
| Name: | Ambenonium chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 115-79-7 | |
| InChi Code: | InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.223145015 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |